Chemical Properties of Fumaric acid, butyl 2,2,2-trichloroethyl ester

Fumaric acid, butyl 2,2,2-trichloroethyl ester

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InChI
InChI=1S/C10H13Cl3O4/c1-2-3-6-16-8(14)4-5-9(15)17-7-10(11,12)13/h4-5H,2-3,6-7H2,1H3/b5-4+
InChI Key
ZAVMYKKEQJIFPH-SNAWJCMRSA-N
Formula
C10H13Cl3O4
SMILES
CCCCOC(=O)C=CC(=O)OCC(Cl)(Cl)Cl
Molecular Weight1
303.57
Sources

Physical Properties

Property Value Unit Source
Δf -387.25 kJ/mol Joback Calculated Property
Δfgas -678.08 kJ/mol Joback Calculated Property
Δfus 32.61 kJ/mol Joback Calculated Property
Δvap 67.98 kJ/mol Joback Calculated Property
logPoct/wat 2.80 Crippen Calculated Property
Pc 2212.45 kPa Joback Calculated Property
Tboil 694.00 K Joback Calculated Property
Tc 902.76 K Joback Calculated Property
Tfus 433.88 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 474.31 J/mol×K 694.0 Joback Calculated Property
η 0.00 Pa×s 694.0 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 1
-CH2- 4
-Cl 3
>C< 1
=CH- 2
>C=O (nonring) 2

Similar Compounds

Fumaric acid, propyl 2,2,2-trichloroethyl ester. Fumaric acid, nonyl 2,2,2-trichloroethyl ester. Fumaric acid, decyl 2,2,2-trichloroethyl ester. Fumaric acid, 2,2,2-trichloroethyl tridecyl ester. Fumaric acid, 2,2-dichloroethyl pentyl ester. Fumaric acid, isobutyl 2,2,2-trichloroethyl ester. Fumaric acid, decyl 2,2-dichloroethyl ester. Fumaric acid, 2,2-dichloroethyl nonyl ester. Fumaric acid, 2,2-dichloroethyl pentadecyl ester. Fumaric acid, 2,2-dichloroethyl dodecyl ester. Fumaric acid, di(2,2,2-trichloroethyl) ester. Fumaric acid, butyl 2-chloropropyl ester. Fumaric acid, di(2,2-dichloroethyl) ester. 2-Butenedioic acid (E)-, dibutyl ester. 2-Butenedioic acid (Z)-, dibutyl ester.

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